[2-(3,5-dichloroanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone

C17H19Cl2N5O — CID 109325994

IUPAC[2-(3,5-dichloroanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C)CC2)nc(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C17H19Cl2N5O/c1-11-7-15(16(25)24-5-3-23(2)4-6-24)22-17(20-11)21-14-9-12(18)8-13(19)10-14/h7-10H,3-6H2,1-2H3,(H,20,21,22)
InChIKeyMDOOKXGEAYHPHI-UHFFFAOYSA-N
MW380.28 g/mol
LogP3.22
Rot. Bonds3

About [2-(3,5-dichloroanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone

[2-(3,5-dichloroanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109325994) has the molecular formula C17H19Cl2N5O and a molecular weight of 380.28 g/mol. Its IUPAC name is [2-(3,5-dichloroanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3,5-dichloroanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109325994
Molecular FormulaC17H19Cl2N5O
Molecular Weight380.28 g/mol
Exact Mass379.10
IUPAC Name[2-(3,5-dichloroanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C)CC2)nc(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C17H19Cl2N5O/c1-11-7-15(16(25)24-5-3-23(2)4-6-24)22-17(20-11)21-14-9-12(18)8-13(19)10-14/h7-10H,3-6H2,1-2H3,(H,20,21,22)
InChIKeyMDOOKXGEAYHPHI-UHFFFAOYSA-N
XLogP3.22
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[2-(3,5-dichloroanilino)-6-methylpyrimidin-4-yl]methanone
CID 109334510
[2-(4-bromoanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325954
2-(3,5-dichloroanilino)-6-methylpyrimidine-4-carboxylic acid
CID 71689168
[2-[(4-chlorophenyl)methylamino]-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325870
[6-methyl-2-(2-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325918
[2-(2,3-dimethylanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325929
(4-methylpiperazin-1-yl)-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
CID 109318879
azepan-1-yl-[2-(3,4-dichloroanilino)-6-methylpyrimidin-4-yl]methanone
CID 109334507
[5-(3,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186413
N-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 109326748
1-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 109326746
[6-(3-chloroanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367097

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichloroanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-(3,5-dichloroanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 109325994) is [2-(3,5-dichloroanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(3,5-dichloroanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(3,5-dichloroanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone is Cc1cc(C(=O)N2CCN(C)CC2)nc(Nc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of [2-(3,5-dichloroanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is MDOOKXGEAYHPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N5O/c1-11-7-15(16(25)24-5-3-23(2)4-6-24)22-17(20-11)21-14-9-12(18)8-13(19)10-14/h7-10H,3-6H2,1-2H3,(H,20,21,22).
What are the key properties of [2-(3,5-dichloroanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
[2-(3,5-dichloroanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 380.28 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichloroanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109325994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).